(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone

C13H10N4O — CID 15048566

IUPAC(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone
SMILESNc1nc2ncc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C13H10N4O/c14-13-16-10-6-9(7-15-12(10)17-13)11(18)8-4-2-1-3-5-8/h1-7H,(H3,14,15,16,17)
InChIKeyMQAUOKDHNDFPIK-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.77
Rot. Bonds2

About (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone

(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone (PubChem CID 15048566) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone
PubChem CID15048566
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone
SMILESNc1nc2ncc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C13H10N4O/c14-13-16-10-6-9(7-15-12(10)17-13)11(18)8-4-2-1-3-5-8/h1-7H,(H3,14,15,16,17)
InChIKeyMQAUOKDHNDFPIK-UHFFFAOYSA-N
XLogP1.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone?
The IUPAC name of (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone (CID 15048566) is (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone?
The canonical SMILES for (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone is Nc1nc2ncc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone?
The InChIKey is MQAUOKDHNDFPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-13-16-10-6-9(7-15-12(10)17-13)11(18)8-4-2-1-3-5-8/h1-7H,(H3,14,15,16,17).
What are the key properties of (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone?
(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone has a molecular weight of 238.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-phenylmethanone is sourced from PubChem (CID 15048566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).